Aethyloctylketonhelveticosid
TL;DR: Aethyloctylketonhelveticosid (CAS 40279-49-0) is a chemical compound with molecular formula C40H62O9 and molecular weight 686.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-ethyl-4-methyl-2-octyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Aethyloctylketonhelveticosid, Aethyloctylketonhelveticosid [German], FG 209, 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-ethylnonylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-ethyl-4-methyl-2-octyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C40H62O9 |
|---|---|
| Molecular Weight | 686.44 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 686.4394 |
| Heavy Atoms | 49 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 40279-49-0 |
|---|---|
| SMILES | CCCCCCCCC1(O[C@@H]2C(O[C@H](CC2O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)C)CC |
| InChIKey | ITLPNNVWSWFOJO-PXMDNIFDSA-N |
Product Overview
Aethyloctylketonhelveticosid (CAS 40279-49-0), with molecular formula C40H62O9 and molecular weight 686.44 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-ethyl-4-methyl-2-octyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Aethyloctylketonhelveticosid
Property Insights of Aethyloctylketonhelveticosid
The XLogP value of 6.0 indicates that Aethyloctylketonhelveticosid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aethyloctylketonhelveticosid. Following Lipinski's Rule of Five, Aethyloctylketonhelveticosid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aethyloctylketonhelveticosid?
The CAS number of Aethyloctylketonhelveticosid is 40279-49-0.
What is the molecular formula of Aethyloctylketonhelveticosid?
The molecular formula of Aethyloctylketonhelveticosid is C40H62O9.
What is the molecular weight of Aethyloctylketonhelveticosid?
The molecular weight of Aethyloctylketonhelveticosid is 686.44 g/mol.
Where can I buy Aethyloctylketonhelveticosid?
You can request a quote for Aethyloctylketonhelveticosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aethyloctylketonhelveticosid?
Yes, KEHONG BIO provides custom synthesis services for Aethyloctylketonhelveticosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.